1-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrimidin-2-yl]ethyl ethanoate

Systemtic Name: 1-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrimidin-2-yl]ethyl ethanoate Openeye Name: 1-[4-[4-[(E)-styryl]sulfonylpiperazin-1-yl]pyrimidin-2-yl]ethyl acetate CAS Name: acetic acid 1-[4-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]-2-pyrimidinyl]ethyl ester IUPAC Name: 1-[4-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]pyrimidin-2-yl]ethyl acetate Traditional Name: acetic acid 1-[4-[4-[(E)-styryl]sulfonylpiperazino]pyrimidin-2-yl]ethyl ester Formula: C20H24N4O4S MolecularWeight: 416.49396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=CC(=N1)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CC(C1=NC=CC(=N1)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C20H24N4O4S/c1-16(28-17(2)25)20-21-10-8-19(22-20)23-11-13-24(14-12-23)29(26,27)15-9-18-6-4-3-5-7-18/h3-10,15-16H,11-14H2,1-2H3/b15-9+